2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol

C16H25NO — CID 63822199

IUPAC2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
SMILESCc1cc(CNCC2(C)CCCC2)cc(C)c1O
InChIInChI=1S/C16H25NO/c1-12-8-14(9-13(2)15(12)18)10-17-11-16(3)6-4-5-7-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyJWAVQQGWUZGDIX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds4

About 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol

2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol (PubChem CID 63822199) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
PubChem CID63822199
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
SMILESCc1cc(CNCC2(C)CCCC2)cc(C)c1O
InChIInChI=1S/C16H25NO/c1-12-8-14(9-13(2)15(12)18)10-17-11-16(3)6-4-5-7-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyJWAVQQGWUZGDIX-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol (CID 63822199) is 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol is Cc1cc(CNCC2(C)CCCC2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
The InChIKey is JWAVQQGWUZGDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-14(9-13(2)15(12)18)10-17-11-16(3)6-4-5-7-16/h8-9,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol?
2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 63822199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).